Geometry & MOs

Info

ID:

104694

PubChem CID:

50104896

Reduced:

N3O3C14H18 (2)

Stoich.:

A3B3C14D18 (2)

Weight, g/mol:

614.18523

ΔHf, kcal/mol:

-213.54

Dipole, Da:

8.09

IP(EA), eV:

 -9.25(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-bromo-3-(propylcarbamoyl)anilino]-2-oxoethyl]-1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=C(C=CC(=C3)C(=O)N(C)C)OC

DOS

IR

Vibrations